4-[3-[2-[(3-chloro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

C20H20ClN7O — CID 135335935

IUPAC4-[3-[2-[(3-chloro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(C)Oc1ncccc1Cl
InChIInChI=1S/C20H20ClN7O/c1-11(29-20-14(21)4-3-7-24-20)10-28-12(2)25-16-6-5-15(26-19(16)28)13-8-17(22)27-18(23)9-13/h3-9,11H,10H2,1-2H3,(H4,22,23,27)
InChIKeyNEWBPDRIMFBYTD-UHFFFAOYSA-N
MW409.88 g/mol
LogP3.48
Rot. Bonds5

About 4-[3-[2-[(3-chloro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

4-[3-[2-[(3-chloro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (PubChem CID 135335935) has the molecular formula C20H20ClN7O and a molecular weight of 409.88 g/mol. Its IUPAC name is 4-[3-[2-[(3-chloro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[3-[2-[(3-chloro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
PubChem CID135335935
Molecular FormulaC20H20ClN7O
Molecular Weight409.88 g/mol
Exact Mass409.14
IUPAC Name4-[3-[2-[(3-chloro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(C)Oc1ncccc1Cl
InChIInChI=1S/C20H20ClN7O/c1-11(29-20-14(21)4-3-7-24-20)10-28-12(2)25-16-6-5-15(26-19(16)28)13-8-17(22)27-18(23)9-13/h3-9,11H,10H2,1-2H3,(H4,22,23,27)
InChIKeyNEWBPDRIMFBYTD-UHFFFAOYSA-N
XLogP3.48
TPSA117.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[(3-chloro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The IUPAC name of 4-[3-[2-[(3-chloro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (CID 135335935) is 4-[3-[2-[(3-chloro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[3-[2-[(3-chloro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The canonical SMILES for 4-[3-[2-[(3-chloro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(C)Oc1ncccc1Cl.
What is the InChIKey of 4-[3-[2-[(3-chloro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The InChIKey is NEWBPDRIMFBYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN7O/c1-11(29-20-14(21)4-3-7-24-20)10-28-12(2)25-16-6-5-15(26-19(16)28)13-8-17(22)27-18(23)9-13/h3-9,11H,10H2,1-2H3,(H4,22,23,27).
What are the key properties of 4-[3-[2-[(3-chloro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
4-[3-[2-[(3-chloro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine has a molecular weight of 409.88 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[(3-chloro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 135335935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).